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2-Chloro-5，5-dimethyl-1，3-cyclohexanedione - ≥98%, high purity , CAS No.7298-89-7

COA

Grade & Purity:

≥98%

Cas Number: 7298-89-7
Molecular Weight: 174.62
PubChem CID: 122278

In stock

Item Number

C695644

Grouped product items
SKU	Size	Availability	Price	Qty
C695644-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$372.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Alpha-chloroketones Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	1,3-diketone - Alpha-haloketone - Alpha-chloroketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-chloro-5,5-dimethylcyclohexane-1,3-dione
INCHI	InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
InChIKey	VOBIHUAWDXUCPH-UHFFFAOYSA-N
Smiles	CC1(CC(=O)C(C(=O)C1)Cl)C
Isomeric SMILES	CC1(CC(=O)C(C(=O)C1)Cl)C
PubChem CID	122278
Molecular Weight	174.62

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.620 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	174.045 Da
Monoisotopic Mass	174.045 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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2-Chloro-5，5-dimethyl-1，3-cyclohexanedione - ≥98%, high purity , CAS No.7298-89-7

Basic Description